>compound 4-Pyridoxate_4-Pyridoxate
#instrument UPLC Q-Tof Premier, Waters
>formula C8H9NO4
#smiles OCc(c1)c(C(O)=O)c(O)c(C)n1
#RECORD LC-ESI-QTOF_train_data/PR100418.txt;LC-ESI-QTOF_train_data/PR100876.txt;LC-ESI-QTOF_train_data/PR100419.txt
>charge 1
>ionization [M+H]+
>parentmass 184.06096

>collision 5-60
65.04 351.3
92.0507 251.7
120.0459 185.6
138.0564 219.2
148.0398 2859.0
166.0498 2248.0
184.061 746.3

>collision 5-60
108.0458 1205.0
138.0558 1661.0
182.0454 808.5

>collision 30
65.0396 558.9
92.0497 271.2
110.0609 74.94
120.045 156.0
122.0239 85.61
148.0396 633.0

